Basic information
- CAS
531-99-7- Standard SMILES
COc1ccc(C(C)=O)cc1C=O- InChIKey
WGQVKYPDHREEJU-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- 5-Acetyl-2-methoxybenzaldehyde
- IUPAC
- 5-acetyl-2-methoxybenzaldehyde
- English name
- 5-Acetyl-2-methoxybenzaldehyde
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
5-Acetyl-2-methoxybenzaldehyde531-99-73-Acetyl-6-methoxybenzaldehydeBenzaldehyde, 5-acetyl-2-methoxy-NSC-150092PKZ321UNPKDTXSID90302303RefChem:1072596DTXCID402534375-Acetyl-2-methoxybenzaldehydo-Anisaldehyde, 5-acetyl-UNII-PKZ321UNPK
Show more names
5-Acetyl-2-anisaldehyde
5-Acetyl-2-methoxybenzaldehyde [MI]C10667AC1Q5EE8MFCD19301502SCHEMBL17068045-acetyl-2-methoxy-benzaldehydeNSC150092DB-129231
Database identifiers
- CAS
531-99-7- PubChem CID
- 288758
- DTXSID
DTXSID90302303- UNII
- PKZ321UNPK
- Nikkaji
- J7.421G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 332.9 · 332.9±27.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- FDA UNII
- 321 UNPK · PKZ321UNPK
Chemistry & industry
Suppliers3 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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